Methyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
Basic information
- CAS
23754-29-2- Standard SMILES
COC(=O)C1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12- InChIKey
UFOCTAMSMHFCIX-UHFFFAOYSA-N- Molecular formula
- C14H17N5O5
- Average molar mass
- 335.32 g/mol
- Monoisotopic mass
- 335.12296866
Names & identifiers
- Preferred name
- Methyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
- IUPAC
- methyl 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate
Names & synonyms
23754-29-2NSC143679DTXSID40301487NSC-143679
Database identifiers
- CAS
23754-29-2- PubChem CID
- 286004
- DTXSID
DTXSID40301487
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 520
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Related reactions
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Compound notes
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